Name: Name:2,2,2-trifluoro-1-{7-iodo-1H,2H,3H-pyrazolo[1,5-a]imidazol-1-yl}ethan-1-one
Brand: Angene
SKU: AG01C041
Rating: 90 (10 reviews)

2,2,2-trifluoro-1-{7-iodo-1H,2H,3H-pyrazolo[1,5-a]imidazol-1-yl}ethan-1-one

CAS No.:

2092812-51-4

Catalog Number:

AG01C041

Molecular Formula:

C7H5F3IN3O

Molecular Weight:

331.0338

Catalog Number:

AG01C041

Chemical Name:

2,2,2-trifluoro-1-{7-iodo-1H,2H,3H-pyrazolo[1,5-a]imidazol-1-yl}ethan-1-one

CAS Number:

2092812-51-4

Molecular Formula:

C7H5F3IN3O

Molecular Weight:

331.0338

MDL Number:

MFCD30697589

IUPAC Name:

2,2,2-trifluoro-1-(7-iodo-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)ethanone

InChI:

InChI=1S/C7H5F3IN3O/c8-7(9,10)6(15)13-1-2-14-5(13)4(11)3-12-14/h3H,1-2H2

InChI Key:

UFRPNIFWAQCUEO-UHFFFAOYSA-N

SMILES:

O=C(C(F)(F)F)N1CCn2c1c(I)cn2

Complexity:

285

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

330.943g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

331.037g/mol

Monoisotopic Mass:

330.943g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4